| SpectraBase Compound ID | 1WBCtY68G96 |
|---|---|
| InChI | InChI=1S/C34H49N9O10/c1-16(2)12-21-31(50)41-23(14-26(36)46)30(49)38-17(3)29(48)40-22(13-25(45)19-8-5-6-9-20(19)35)32(51)42-28(18(4)44)34(53)43-11-7-10-24(43)33(52)37-15-27(47)39-21/h5-6,8-9,16-18,21-24,28,44H,7,10-15,35H2,1-4H3,(H2,36,46)(H,37,52)(H,38,49)(H,39,47)(H,40,48)(H,41,50)(H,42,51)/t17-,18?,21-,22-,23-,24-,28-/m0/s1 |
| InChIKey | VBYVMCURMJNOIJ-UBZRLPHNSA-N |
| Mol Weight | 743.8 g/mol |
| Molecular Formula | C34H49N9O10 |
| Exact Mass | 743.360239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5plJfCR5Ebr |
|---|---|
| Name | CYCLOMONTANIN_B;CYCLO-(-GLY-(1)-TRANS-PRO-(2)-THR-(3)-KYN-(4)-ALA-(5)-ASN-(6)-LEU-(7)-) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H49N9O10 |
| InChI | InChI=1S/C34H49N9O10/c1-16(2)12-21-31(50)41-23(14-26(36)46)30(49)38-17(3)29(48)40-22(13-25(45)19-8-5-6-9-20(19)35)32(51)42-28(18(4)44)34(53)43-11-7-10-24(43)33(52)37-15-27(47)39-21/h5-6,8-9,16-18,21-24,28,44H,7,10-15,35H2,1-4H3,(H2,36,46)(H,37,52)(H,38,49)(H,39,47)(H,40,48)(H,41,50)(H,42,51)/t17-,18?,21-,22-,23-,24-,28-/m0/s1 |
| InChIKey | VBYVMCURMJNOIJ-UBZRLPHNSA-N |
| Literature Reference Author | P.H.CHUANG,P.W.HSIEH,Y.L.YANG,K.F.HUA,F.R.CHANG,J.SHIEA,S.H. WU,Y.C.WU |
| Literature Reference Citation | J.NAT.PROD.,71,1365(2008) |
| Literature Reference DOI | 10.1021/np8001282 |
| Molecular Weight | 743.817 g/mol |
| Sample ID | 28456 |
| Solvent | C5D5N |